4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide

C18H26N6O3S — CID 134247697

IUPAC4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide
SMILESCc1cc2cnc(NC3CCN(S(N)(=O)=O)CC3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C18H26N6O3S/c1-12-10-13-11-20-18(21-14-6-8-23(9-7-14)28(19,26)27)22-16(13)24(17(12)25)15-4-2-3-5-15/h10-11,14-15H,2-9H2,1H3,(H2,19,26,27)(H,20,21,22)
InChIKeyOEWHJLSAASUFFE-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.29
Rot. Bonds4

About 4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide

4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide (PubChem CID 134247697) has the molecular formula C18H26N6O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide
PubChem CID134247697
Molecular FormulaC18H26N6O3S
Molecular Weight406.51 g/mol
Exact Mass406.18
IUPAC Name4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide
SMILESCc1cc2cnc(NC3CCN(S(N)(=O)=O)CC3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C18H26N6O3S/c1-12-10-13-11-20-18(21-14-6-8-23(9-7-14)28(19,26)27)22-16(13)24(17(12)25)15-4-2-3-5-15/h10-11,14-15H,2-9H2,1H3,(H2,19,26,27)(H,20,21,22)
InChIKeyOEWHJLSAASUFFE-UHFFFAOYSA-N
XLogP1.29
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide?
The IUPAC name of 4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide (CID 134247697) is 4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide.
What is the SMILES notation for 4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide?
The canonical SMILES for 4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide is Cc1cc2cnc(NC3CCN(S(N)(=O)=O)CC3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide?
The InChIKey is OEWHJLSAASUFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3S/c1-12-10-13-11-20-18(21-14-6-8-23(9-7-14)28(19,26)27)22-16(13)24(17(12)25)15-4-2-3-5-15/h10-11,14-15H,2-9H2,1H3,(H2,19,26,27)(H,20,21,22).
What are the key properties of 4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide?
4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide has a molecular weight of 406.51 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-cyclopentyl-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonamide is sourced from PubChem (CID 134247697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).